Compound Detail
CHEMBL3133031
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Basic Information
| ChEMBL ID | CHEMBL3133031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVJGVPUJTPBPAM-SFTDATJTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
417.7
MW (Da)
4.60
ALogP
5
HBA
0
HBD
63.7
PSA (Ų)
0.24
QED
0
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-protein thioesterase 1 CHEMBL1681631 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| Acyl-protein thioesterase 2 CHEMBL1932891 | IC50 | 7.71 | 7.71 | 19.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-protein thioesterase 1 | IC50 | = | 2.5 | nM | 8.6 | Inhibition of APT1 (unknown origin) | 25558349 |
| Acyl-protein thioesterase 2 | IC50 | = | 19.6 | nM | 7.71 | Inhibition of APT2 (unknown origin) | 25558349 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25558349 | 10.1039/c3md00333g | Acyl-protein thioesterase 2 | 1 |
| 25558349 | 10.1039/c3md00333g | Acyl-protein thioesterase 1 | 1 |
| 25937012 | 10.1016/j.bmcl.2015.04.035 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine